CID 19593819

1-bromo-2,2,3,3-tetrafluorobutane

Structural Information

Molecular Formula
C4H5BrF4
SMILES
CC(C(CBr)(F)F)(F)F
InChI
InChI=1S/C4H5BrF4/c1-3(6,7)4(8,9)2-5/h2H2,1H3
InChIKey
YTSWJCXLMABRQX-UHFFFAOYSA-N
Compound name
1-bromo-2,2,3,3-tetrafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

207.95108 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.95836 136.9
[M+Na]+ 230.94030 149.4
[M-H]- 206.94380 135.6
[M+NH4]+ 225.98490 159.3
[M+K]+ 246.91424 138.9
[M+H-H2O]+ 190.94834 135.6
[M+HCOO]- 252.94928 151.8
[M+CH3COO]- 266.96493 183.9
[M+Na-2H]- 228.92575 144.3
[M]+ 207.95053 149.7
[M]- 207.95163 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe